1-[(3,4-dimethylphenyl)methyl]-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Openeye Name: 1-[(3,4-dimethylphenyl)methyl]-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium CAS Name: 1-[(3,4-dimethylphenyl)methyl]-4-[[(2R)-2-pyrrolidin-1-iumyl]methyl]piperazin-1-ium IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Traditional Name: 1-(3,4-dimethylbenzyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3CCC[NH2+]3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C[C@H]3CCC[NH2+]3)C

InChI

InChI=1S/C18H29N3/c1-15-5-6-17(12-16(15)2)13-20-8-10-21(11-9-20)14-18-4-3-7-19-18/h5-6,12,18-19H,3-4,7-11,13-14H2,1-2H3/p+2/t18-/m1/s1